Compound Detail
CHEMBL4095486
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N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1nc(-c2ccccc2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL4095486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNWVPLWFFIGCKG-DHGKCCLASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
-0.44
ALogP
6
HBA
5
HBD
124.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 5.57 | 5.54 | 2670.0 | 2 |
| Glycogen phosphorylase, liver form CHEMBL2568 | Ki | 5.56 | 5.56 | 2730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 2670.0 | nM | 5.57 | Competitive inhibition of rabbit muscle glycogen phosphorylase-b in presence of ... | 28925695 |
| Glycogen phosphorylase, liver form | Ki | = | 2730.0 | nM | 5.56 | Competitive inhibition of 6xHis-tagged human liver glycogen phosphorylase-a expr... | 28925695 |
| Glycogen phosphorylase, muscle form | Ki | = | 3110.0 | nM | 5.51 | Competitive inhibition of rabbit muscle glycogen phosphorylase-a in presence of ... | 28925695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28925695 | 10.1021/acs.jmedchem.7b01056 | Glycogen phosphorylase, muscle form | 2 |
| 28925695 | 10.1021/acs.jmedchem.7b01056 | Glycogen phosphorylase, liver form | 1 |
Data from ChEMBL 36 via Core Engine